CABS-flex: server for fast simulation of protein structure fluctuations

Download models Download C^α trajectory

Status: Done started: 2018-Apr-03 12:15:22 UTC

Project Name	SNB
Sequence	KKVKLIGTLD YGKYRYPKNH PLKIPRVSLL LRFKDAMNLI DEKELIKSRP ATKEELLLFH TEDYINTLME AERCQCVPKG AREKYNIGGY ENPVSYAMFT GSSLATGSTV QAIEEFLKGN VAFNPAGGMH HAFKSRANGF CYINNPAVGI EYLRKKGFKR ILYIDLDAHH CDGVQEAFYD TDQVFVLSLH QSPEYAFPFE KGFLEEIGEG KGKGYNLNIP LPKGLNDNEF LFALEKSLEI VKEVFEPEVY LLQLGTDPLL EDYLSKFNLS NVAFLKAFNI VREVFGEGVY LGGGGYHPYA LARAWTLIWC ELSGREVPEK LNNKAKELLK SIDFEEFDDE VDRSYMLETL KDPWRGGEVR KEVKDTLEKA KA
Secondary structure	CCEEEEECCC CCCCCCCCCC CCCCCCHHHH HHHHHHCCCC CCCCEEECCC CCHHHHCCCC CHHHHHHHHH HHHHCCCCCC HHHHHCCCCC CCCCCCCCCH HHHHHHHHHH HHHHHHHCCC EEEECCCCCC CCCCCCCCCC CCCCHHHHHH HHHHHCCCCC EEEEECCCCC CHHHHHHHCC CCCEEEEEEE ECCCCCCCCC CCCCCCCCCC CCCCCEEEEE ECCCCCHHHH HHHHHHHHHH HHHHCCCCEE EEECCCCCCC CCCCCCCCCC HHHHHHHHHH HHHHHCCCEE ECCCCCCHHH HHHHHHHHHH HHHCCCCCCC CCHHHHHHHH HCCCCCCCCC CCCCCCCCCC CCCCCCCCCC HHHHHHHHHH HC
Movie from predicted structures	To download the movie, right click on the desired file format:
Estimated finish time	2018-Apr-03 17:23 UTC

Project Name	SNB

Multimodel

Multimodel [PDB] Multimodel with superimposed input structure [PDB] Fluctuation data [TXT] Fluctuation plot [EPS]

Model 001

Model [PDB] Model with superimposed input structure [PDB] RMSD data [TXT] RMSD plot [EPS]

Model 002

Model [PDB] Model with superimposed input structure [PDB] RMSD data [TXT] RMSD plot [EPS]

Model 003

Model [PDB] Model with superimposed input structure [PDB] RMSD data [TXT] RMSD plot [EPS]

Model 004

Model [PDB] Model with superimposed input structure [PDB] RMSD data [TXT] RMSD plot [EPS]

Model 005

Model [PDB] Model with superimposed input structure [PDB] RMSD data [TXT] RMSD plot [EPS]

Model 006

Model [PDB] Model with superimposed input structure [PDB] RMSD data [TXT] RMSD plot [EPS]

Model 007

Model [PDB] Model with superimposed input structure [PDB] RMSD data [TXT] RMSD plot [EPS]

Model 008

Model [PDB] Model with superimposed input structure [PDB] RMSD data [TXT] RMSD plot [EPS]

Model 009

Model [PDB] Model with superimposed input structure [PDB] RMSD data [TXT] RMSD plot [EPS]

Model 010

Model [PDB] Model with superimposed input structure [PDB] RMSD data [TXT] RMSD plot [EPS]

Model 011

Model [PDB] Model with superimposed input structure [PDB] RMSD data [TXT] RMSD plot [EPS]

Model 012

Model [PDB] Model with superimposed input structure [PDB] RMSD data [TXT] RMSD plot [EPS]

Project Name	SNB

Clustering data

Cluster #	1	2	3	4	5	6	7	8	9	10	11	12
Cluster density	331.5	209.7	184.5	172.7	166.4	161.5	148.2	103.5	96.2	78.9	77.7	70.1
Cluster size	375	227	211	191	187	171	161	113	102	89	85	88
Average cluster RMSD	1.1	1.1	1.1	1.1	1.1	1.1	1.1	1.1	1.1	1.1	1.1	1.3

Read about clustering method.

C^α RMSD & GDT_TS to the input structure

#	1	2	3	4	5	6	7	8	9	10	11	12
RMSD	2.58	2.83	2.87	2.61	2.74	2.88	2.80	2.75	2.66	2.28	2.45	2.82
GDT_TS	0.68	0.63	0.63	0.69	0.67	0.66	0.63	0.66	0.66	0.70	0.67	0.64

The table contains RMSD and GDT_TS values (calculated on the Cα atoms) between the predicted models and the input structure. Note that GDT_TS metric is intended as a more accurate measurement than the more common RMSD.
Read more about the root-mean-square deviation (RMSD) measure
Read more about the global distance test (GDT, also written as GDT_TS to represent "total score") measure.

C^α RMSD between predicted models

#	1	2	3	4	5	6	7	8	9	10	11	12
1	0.00	1.84	2.16	1.86	1.86	1.99	1.93	2.18	2.08	2.36	2.06	1.90
2	1.84	0.00	2.11	1.86	2.01	1.99	1.69	2.20	1.78	2.33	2.16	1.80
3	2.16	2.11	0.00	2.42	2.38	2.39	2.20	1.97	2.13	2.40	2.35	2.42
4	1.86	1.86	2.42	0.00	1.77	1.95	1.82	2.32	2.05	2.28	2.19	1.87
5	1.86	2.01	2.38	1.77	0.00	2.03	2.14	2.54	2.26	2.47	2.33	2.06
6	1.99	1.99	2.39	1.95	2.03	0.00	1.94	2.60	2.32	2.38	2.42	2.18
7	1.93	1.69	2.20	1.82	2.14	1.94	0.00	2.21	1.94	2.29	2.21	1.89
8	2.18	2.20	1.97	2.32	2.54	2.60	2.21	0.00	1.92	2.32	2.16	2.49
9	2.08	1.78	2.13	2.05	2.26	2.32	1.94	1.92	0.00	2.21	2.06	2.10
10	2.36	2.33	2.40	2.28	2.47	2.38	2.29	2.32	2.21	0.00	2.04	2.50
11	2.06	2.16	2.35	2.19	2.33	2.42	2.21	2.16	2.06	2.04	0.00	2.19
12	1.90	1.80	2.42	1.87	2.06	2.18	1.89	2.49	2.10	2.50	2.19	0.00

The table contains RMSD values (calculated on the Cα atoms) between the predicted models.
Read more about the root-mean-square deviation (RMSD) measure.

C^α GDT_TS between predicted models

#	1	2	3	4	5	6	7	8	9	10	11	12
1	1.00	0.76	0.71	0.77	0.77	0.75	0.74	0.73	0.72	0.70	0.74	0.75
2	0.76	1.00	0.72	0.75	0.71	0.76	0.79	0.71	0.78	0.69	0.73	0.78
3	0.71	0.72	1.00	0.69	0.70	0.71	0.72	0.74	0.72	0.68	0.71	0.69
4	0.77	0.75	0.69	1.00	0.78	0.75	0.76	0.71	0.74	0.71	0.71	0.75
5	0.77	0.71	0.70	0.78	1.00	0.74	0.70	0.68	0.72	0.69	0.72	0.72
6	0.75	0.76	0.71	0.75	0.74	1.00	0.77	0.69	0.70	0.69	0.71	0.72
7	0.74	0.79	0.72	0.76	0.70	0.77	1.00	0.72	0.76	0.71	0.72	0.76
8	0.73	0.71	0.74	0.71	0.68	0.69	0.72	1.00	0.76	0.73	0.74	0.68
9	0.72	0.78	0.72	0.74	0.72	0.70	0.76	0.76	1.00	0.71	0.74	0.71
10	0.70	0.69	0.68	0.71	0.69	0.69	0.71	0.73	0.71	1.00	0.74	0.68
11	0.74	0.73	0.71	0.71	0.72	0.71	0.72	0.74	0.74	0.74	1.00	0.71
12	0.75	0.78	0.69	0.75	0.72	0.72	0.76	0.68	0.71	0.68	0.71	1.00

The table contains GDT_TS values (calculated on the Cα atoms) between the predicted models.
Read more about the global distance test (GDT, also written as GDT_TS to represent "total score") measure.

© Laboratory of Theory of Biopolymers, Faculty of Chemistry, University of Warsaw 2013